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2078-38-8 | Pyrrolidinium, 1-(3-hydroxypropyl)-1,2,5-trimethyl-, bromide (1:1)
CAS No: 2078-38-8 Catalog No: AG002JAX MDL No:
Product Description
Catalog Number:
AG002JAX
Chemical Name:
Pyrrolidinium, 1-(3-hydroxypropyl)-1,2,5-trimethyl-, bromide (1:1)
CAS Number:
2078-38-8
Molecular Formula:
C10H22BrNO
Molecular Weight:
252.1918
IUPAC Name:
3-(1,2,5-trimethylpyrrolidin-1-ium-1-yl)propan-1-ol;bromide
InChI:
InChI=1S/C10H22NO.BrH/c1-9-5-6-10(2)11(9,3)7-4-8-12;/h9-10,12H,4-8H2,1-3H3;1H/q+1;/p-1
InChI Key:
XMNACLDJLGHPSI-UHFFFAOYSA-M
SMILES:
OCCC[N+]1(C)C(C)CCC1C.[Br-]
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.088g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.196g/mol
Monoisotopic Mass:
251.088g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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